N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide

C8H12N2O2 — CID 18414899

IUPACN-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1CCCC1=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)9-6-10-5-3-4-8(10)12/h2H,1,3-6H2,(H,9,11)
InChIKeyOFCMDIZPTHFZQK-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.13
Rot. Bonds3

About N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide

N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide (PubChem CID 18414899) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
PubChem CID18414899
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1CCCC1=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)9-6-10-5-3-4-8(10)12/h2H,1,3-6H2,(H,9,11)
InChIKeyOFCMDIZPTHFZQK-UHFFFAOYSA-N
XLogP-0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
CID 4737347
1-ethenylpyrrolidin-2-one;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 161899874
N-(2-(2-Oxoimidazolidin-1-yl)ethyl)acrylamide
CID 76532
5-Fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione
CID 70594037
N-[[[1-Oxo-3-[[2-(2-oxoimidazolidin-1-YL)ethyl]amino]propyl]amino]methyl]acrylamide
CID 3024600
3-Methyl-1-(5-oxopyrrolidin-2-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 13942407
2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
CID 18414894
2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
CID 19816399
N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
CID 20567304
N-[1-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
CID 21716074
Dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-[14-(prop-2-enoylamino)tetradecyl]azanium
CID 23053596
Dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 23053598

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide (CID 18414899) is N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide is C=CC(=O)NCN1CCCC1=O.
What is the InChIKey of N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The InChIKey is OFCMDIZPTHFZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-7(11)9-6-10-5-3-4-8(10)12/h2H,1,3-6H2,(H,9,11).
What are the key properties of N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide has a molecular weight of 168.20 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 18414899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).